N-[(3-hydroxythiolan-3-yl)methyl]-3-(5-methyl-1H-indol-3-yl)propanamide

C17H22N2O2S — CID 111596973

IUPACN-[(3-hydroxythiolan-3-yl)methyl]-3-(5-methyl-1H-indol-3-yl)propanamide
SMILESCc1ccc2[nH]cc(CCC(=O)NCC3(O)CCSC3)c2c1
InChIInChI=1S/C17H22N2O2S/c1-12-2-4-15-14(8-12)13(9-18-15)3-5-16(20)19-10-17(21)6-7-22-11-17/h2,4,8-9,18,21H,3,5-7,10-11H2,1H3,(H,19,20)
InChIKeyMJXJBLIJSXRTSY-UHFFFAOYSA-N
MW318.44 g/mol
LogP2.39
Rot. Bonds5

About N-[(3-hydroxythiolan-3-yl)methyl]-3-(5-methyl-1H-indol-3-yl)propanamide

N-[(3-hydroxythiolan-3-yl)methyl]-3-(5-methyl-1H-indol-3-yl)propanamide (PubChem CID 111596973) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is N-[(3-hydroxythiolan-3-yl)methyl]-3-(5-methyl-1H-indol-3-yl)propanamide.

Molecular Properties

Compound NameN-[(3-hydroxythiolan-3-yl)methyl]-3-(5-methyl-1H-indol-3-yl)propanamide
PubChem CID111596973
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC NameN-[(3-hydroxythiolan-3-yl)methyl]-3-(5-methyl-1H-indol-3-yl)propanamide
SMILESCc1ccc2[nH]cc(CCC(=O)NCC3(O)CCSC3)c2c1
InChIInChI=1S/C17H22N2O2S/c1-12-2-4-15-14(8-12)13(9-18-15)3-5-16(20)19-10-17(21)6-7-22-11-17/h2,4,8-9,18,21H,3,5-7,10-11H2,1H3,(H,19,20)
InChIKeyMJXJBLIJSXRTSY-UHFFFAOYSA-N
XLogP2.39
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-hydroxythiolan-3-yl)methyl]-3-(4-methylphenyl)propanamide
CID 111596948
1-[(3-hydroxythiolan-3-yl)methyl]-3-[3-(1H-indol-3-yl)propyl]urea
CID 111618840
N-[(3-hydroxythiolan-3-yl)methyl]-2-(7-methyl-1H-indol-3-yl)acetamide
CID 111597192
2-chloro-N-[2-(5-methyl-1H-indol-3-yl)ethyl]acetamide
CID 17339304
3-(5-methyl-1H-indol-3-yl)-N-(4-methylsulfanylbutyl)propanamide
CID 71925432
N-(4-hydroxycyclohexyl)-3-(5-methyl-1H-indol-3-yl)propanamide
CID 111536296
N-[(4-hydroxythian-4-yl)methyl]-3-(3-methylphenyl)propanamide
CID 111484634
3-(3-bromophenyl)-N-[(3-hydroxythiolan-3-yl)methyl]propanamide
CID 111597105
N-[(1-hydroxycyclobutyl)methyl]-2-(6-methyl-1H-indol-3-yl)acetamide
CID 111444945
methyl 2-methyl-5-[[3-(5-methyl-1H-indol-3-yl)propanoylamino]methyl]furan-3-carboxylate
CID 119042143
2-methoxy-N-[2-(5-methyl-1H-indol-3-yl)ethyl]acetamide
CID 17271899
3-(5-methyl-1H-indol-3-yl)-N-[(2S)-pent-4-en-2-yl]propanamide
CID 95930494

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxythiolan-3-yl)methyl]-3-(5-methyl-1H-indol-3-yl)propanamide?
The IUPAC name of N-[(3-hydroxythiolan-3-yl)methyl]-3-(5-methyl-1H-indol-3-yl)propanamide (CID 111596973) is N-[(3-hydroxythiolan-3-yl)methyl]-3-(5-methyl-1H-indol-3-yl)propanamide.
What is the SMILES notation for N-[(3-hydroxythiolan-3-yl)methyl]-3-(5-methyl-1H-indol-3-yl)propanamide?
The canonical SMILES for N-[(3-hydroxythiolan-3-yl)methyl]-3-(5-methyl-1H-indol-3-yl)propanamide is Cc1ccc2[nH]cc(CCC(=O)NCC3(O)CCSC3)c2c1.
What is the InChIKey of N-[(3-hydroxythiolan-3-yl)methyl]-3-(5-methyl-1H-indol-3-yl)propanamide?
The InChIKey is MJXJBLIJSXRTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S/c1-12-2-4-15-14(8-12)13(9-18-15)3-5-16(20)19-10-17(21)6-7-22-11-17/h2,4,8-9,18,21H,3,5-7,10-11H2,1H3,(H,19,20).
What are the key properties of N-[(3-hydroxythiolan-3-yl)methyl]-3-(5-methyl-1H-indol-3-yl)propanamide?
N-[(3-hydroxythiolan-3-yl)methyl]-3-(5-methyl-1H-indol-3-yl)propanamide has a molecular weight of 318.44 g/mol, XLogP of 2.39, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxythiolan-3-yl)methyl]-3-(5-methyl-1H-indol-3-yl)propanamide is sourced from PubChem (CID 111596973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).